Malonic acid, 2-hydroxyethyl ester, methyl ester
TL;DR: Malonic acid, 2-hydroxyethyl ester, methyl ester (CAS 131072-41-8) is a chemical compound with molecular formula C6H10O5 and molecular weight 162.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-(2-hydroxyethyl) 1-O-methyl propanedioate
Also Known As: Methyl (2-hydroxyethyl) malonate, 1-(2-Hydroxyethyl) 3-methyl malonate, 1-(2-Hydroxyethyl) 3-methyl malonate #, 1-(2-hydroxyethyl) 3-methyl propanedioate, Malonic acid, 2-hydroxyethyl ester, methyl ester
| Molecular Formula | C6H10O5 |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.05283 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 131072-41-8 |
|---|---|
| SMILES | COC(=O)CC(=O)OCCO |
| InChIKey | CHMSBKBPLBFQPO-UHFFFAOYSA-N |
Product Overview
Malonic acid, 2-hydroxyethyl ester, methyl ester (CAS 131072-41-8), with molecular formula C6H10O5 and molecular weight 162.05 g/mol. IUPAC: 3-O-(2-hydroxyethyl) 1-O-methyl propanedioate.
Chemical Property Profile of Malonic acid, 2-hydroxyethyl ester, methyl ester
Property Insights of Malonic acid, 2-hydroxyethyl ester, methyl ester
The XLogP value of -0.5 indicates that Malonic acid, 2-hydroxyethyl ester, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Malonic acid, 2-hydroxyethyl ester, methyl ester. Following Lipinski's Rule of Five, Malonic acid, 2-hydroxyethyl ester, methyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Malonic acid, 2-hydroxyethyl ester, methyl ester?
The CAS number of Malonic acid, 2-hydroxyethyl ester, methyl ester is 131072-41-8.
What is the molecular formula of Malonic acid, 2-hydroxyethyl ester, methyl ester?
The molecular formula of Malonic acid, 2-hydroxyethyl ester, methyl ester is C6H10O5.
What is the molecular weight of Malonic acid, 2-hydroxyethyl ester, methyl ester?
The molecular weight of Malonic acid, 2-hydroxyethyl ester, methyl ester is 162.05 g/mol.
Where can I buy Malonic acid, 2-hydroxyethyl ester, methyl ester?
You can request a quote for Malonic acid, 2-hydroxyethyl ester, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonic acid, 2-hydroxyethyl ester, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Malonic acid, 2-hydroxyethyl ester, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.